6-methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one

C11H12O2 — CID 130036457

IUPAC6-methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
SMILESC=C1C2C=CC(=O)C3(CCCC13)O2
InChIInChI=1S/C11H12O2/c1-7-8-3-2-6-11(8)10(12)5-4-9(7)13-11/h4-5,8-9H,1-3,6H2
InChIKeyKOZQSFAQZTYUGO-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.62
Rot. Bonds

About 6-methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one

6-methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one (PubChem CID 130036457) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one.

Molecular Properties

Compound Name6-methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
PubChem CID130036457
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name6-methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
SMILESC=C1C2C=CC(=O)C3(CCCC13)O2
InChIInChI=1S/C11H12O2/c1-7-8-3-2-6-11(8)10(12)5-4-9(7)13-11/h4-5,8-9H,1-3,6H2
InChIKeyKOZQSFAQZTYUGO-UHFFFAOYSA-N
XLogP1.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one?
The IUPAC name of 6-methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one (CID 130036457) is 6-methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one.
What is the SMILES notation for 6-methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one?
The canonical SMILES for 6-methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one is C=C1C2C=CC(=O)C3(CCCC13)O2.
What is the InChIKey of 6-methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one?
The InChIKey is KOZQSFAQZTYUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-7-8-3-2-6-11(8)10(12)5-4-9(7)13-11/h4-5,8-9H,1-3,6H2.
What are the key properties of 6-methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one?
6-methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one has a molecular weight of 176.22 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one is sourced from PubChem (CID 130036457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).